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Owensite |
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Szymanski J T |
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The Canadian Mineralogist 33 (1995) 671-677 |
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The crystal structure of owensite, (Ba,Pb)6(Cu,Fe,Ni)25S27, a new member of the |
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djerfisherite group |
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_database_code_amcsd 0005435 |
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10.349 10.349 10.349 90 90 90 Pm3m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .5 .5 .5 .5237 .0160 .0160 .0160 0 0 0 |
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Fe1 .5 .5 .5 .4763 .0160 .0160 .0160 0 0 0 |
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Cu2 .36416 .36416 .13806 .5237 .0167 .0167 .0217 -.0016 .0004 .0004 |
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Fe2 .36416 .36416 .13806 .4763 .0167 .0167 .0217 -.0016 .0004 .0004 |
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Ba 0 0 .30420 .9064 .0154 .0154 .0120 0 0 0 |
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Pb .0149 .0149 .2740 .0234 .0152 |
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S1 0 0 0 .0139 .0139 .0139 0 0 0 |
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S2 .24422 .5 0 .0138 .0147 .0133 0 0 0 |
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S3 .5 .5 .25858 .0150 .0150 .0102 0 0 0 |
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S4 .21703 .21703 .21703 .0160 .0160 .0160 .0023 .0023 .0023 |
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